1-benzyl-3-(oxan-2-yloxy)pyrrolidine

C16H23NO2 — CID 18687581

IUPAC1-benzyl-3-(oxan-2-yloxy)pyrrolidine
SMILESc1ccc(CN2CCC(OC3CCCCO3)C2)cc1
InChIInChI=1S/C16H23NO2/c1-2-6-14(7-3-1)12-17-10-9-15(13-17)19-16-8-4-5-11-18-16/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyGLZXZTWPGUEGPE-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.80
Rot. Bonds4

About 1-benzyl-3-(oxan-2-yloxy)pyrrolidine

1-benzyl-3-(oxan-2-yloxy)pyrrolidine (PubChem CID 18687581) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-benzyl-3-(oxan-2-yloxy)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-(oxan-2-yloxy)pyrrolidine
PubChem CID18687581
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-benzyl-3-(oxan-2-yloxy)pyrrolidine
SMILESc1ccc(CN2CCC(OC3CCCCO3)C2)cc1
InChIInChI=1S/C16H23NO2/c1-2-6-14(7-3-1)12-17-10-9-15(13-17)19-16-8-4-5-11-18-16/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyGLZXZTWPGUEGPE-UHFFFAOYSA-N
XLogP2.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333
1-benzyl-4-[3-[3-(oxan-2-yloxy)propoxy]phenyl]piperidin-3-ol
CID 22127008
1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine
CID 103992937
CID 58171508
CID 58171508
(1-benzylpyrrolidin-3-yl) sulfite
CID 91372704
1-[4-(oxan-2-yloxy)cyclohexyl]-4-phenylbutan-1-ol
CID 59992415
1-benzylpyrrolidine;1-(oxolan-2-yl)pyrrolidine
CID 138503515
[(2R,5S)-1-benzyl-5-(oxan-2-yloxymethyl)pyrrolidin-2-yl]methanol
CID 10733394
(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate
CID 117065975

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(oxan-2-yloxy)pyrrolidine?
The IUPAC name of 1-benzyl-3-(oxan-2-yloxy)pyrrolidine (CID 18687581) is 1-benzyl-3-(oxan-2-yloxy)pyrrolidine.
What is the SMILES notation for 1-benzyl-3-(oxan-2-yloxy)pyrrolidine?
The canonical SMILES for 1-benzyl-3-(oxan-2-yloxy)pyrrolidine is c1ccc(CN2CCC(OC3CCCCO3)C2)cc1.
What is the InChIKey of 1-benzyl-3-(oxan-2-yloxy)pyrrolidine?
The InChIKey is GLZXZTWPGUEGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-6-14(7-3-1)12-17-10-9-15(13-17)19-16-8-4-5-11-18-16/h1-3,6-7,15-16H,4-5,8-13H2.
What are the key properties of 1-benzyl-3-(oxan-2-yloxy)pyrrolidine?
1-benzyl-3-(oxan-2-yloxy)pyrrolidine has a molecular weight of 261.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(oxan-2-yloxy)pyrrolidine is sourced from PubChem (CID 18687581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).